#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsp s GLY 9 N 0.00 2.20 0.00 5.00 0.00 -1.26 -4.98 107.32 108.28 1vsp s GLY 9 Ca 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 44.72 41.57 1vsp s GLY 9 CO 0.00 1.38 0.00 0.28 0.00 0.00 0.00 173.10 174.76 1vsp n LYS 10 N 2.76 0.00 0.00 2.90 4.76 -1.26 -4.81 118.16 122.51 1vsp n LYS 10 Ca 0.16 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1vsp n LYS 10 Cb 0.37 -0.41 0.00 0.00 -1.84 0.00 0.00 35.03 33.14 1vsp n LYS 10 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1vsp n ARG 11 N -0.76 0.00 0.03 1.97 5.12 -1.26 -4.37 116.66 117.39 1vsp n ARG 11 Ca 0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 1vsp n ARG 11 Cb 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.23 1vsp n ARG 11 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1vsp h PRO 12 N 0.00 -0.18 -3.61 5.56 0.13 -1.92 -3.49 132.00 128.49 1vsp h PRO 12 Ca 0.00 0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 1vsp h PRO 12 Cb 0.00 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 31.03 1vsp h PRO 12 CO 0.00 0.24 -0.25 0.42 -0.23 0.00 0.00 178.00 178.18 1vsp s ILE 13 N -2.98 0.11 -0.76 -3.56 1.09 -1.26 -5.07 121.20 108.76 1vsp s ILE 13 Ca -0.11 -0.91 -0.29 0.00 -1.10 0.00 0.00 60.65 58.23 1vsp s ILE 13 Cb -0.00 -1.23 -0.16 0.00 -1.06 0.00 0.00 42.46 40.01 1vsp s ILE 13 CO 0.41 -0.50 2.56 0.55 -0.10 0.00 0.00 174.94 177.86 1vsp n VAL 14 N -0.05 -0.03 -1.50 2.92 3.14 -1.26 -4.71 118.33 116.85 1vsp n VAL 14 Ca -0.16 -0.33 -0.31 0.00 -2.96 0.00 0.00 64.34 60.58 1vsp n VAL 14 Cb 0.63 -1.46 0.07 0.00 -1.06 0.00 0.00 33.84 32.02 1vsp n VAL 14 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vsp n ALA 15 N 12.59 5.93 -2.73 1.55 0.00 -1.26 -4.50 120.51 132.09 1vsp n ALA 15 Ca 0.53 -3.52 -0.03 0.00 0.00 0.00 0.00 53.44 50.43 1vsp n ALA 15 Cb 0.24 -1.38 0.09 0.00 0.00 0.00 0.00 19.45 18.41 1vsp n ALA 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1vsp n ASN 16 N -0.89 -0.28 -3.26 0.00 6.94 -1.26 -4.48 115.26 112.03 1vsp n ASN 16 Ca 0.57 -2.23 -0.28 0.00 -0.02 0.00 0.00 54.58 52.63 1vsp n ASN 16 Cb 0.80 0.24 0.27 0.00 -2.36 0.00 0.00 39.78 38.73 1vsp n ASN 16 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1vsp n SER 17 N -1.00 -4.00 -3.17 0.53 7.64 -1.19 -4.96 113.62 107.46 1vsp n SER 17 Ca -0.06 -0.79 0.01 0.00 1.01 0.00 0.00 58.87 59.04 1vsp n SER 17 Cb 0.85 -0.94 -0.01 0.00 -1.01 0.00 0.00 64.21 63.09 1vsp n SER 17 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1vsp s ILE 18 N -2.07 -0.94 0.37 0.44 -5.25 -1.26 -4.10 121.20 108.38 1vsp s ILE 18 Ca 0.61 0.00 0.00 0.00 -0.99 0.00 0.00 60.65 60.27 1vsp s ILE 18 Cb -0.11 -0.12 0.00 0.00 2.95 0.00 0.00 42.46 45.18 1vsp s ILE 18 CO 0.51 0.00 0.02 1.67 -1.79 0.00 0.00 174.94 175.35 1vsp n GLN 19 N 4.50 1.10 -4.43 0.37 7.27 -1.17 -4.96 117.38 120.06 1vsp n GLN 19 Ca 0.10 -2.66 -0.21 0.00 0.07 0.00 0.00 57.00 54.30 1vsp n GLN 19 Cb 0.57 0.69 -0.10 0.00 2.41 0.00 0.00 30.24 33.80 1vsp n GLN 19 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1vsp s ARG 20 N -3.34 1.56 0.00 3.69 1.81 -1.26 -0.10 118.95 121.30 1vsp s ARG 20 Ca 0.01 -1.78 0.00 0.00 -1.72 0.00 0.00 55.73 52.24 1vsp s ARG 20 Cb -0.00 -1.21 0.00 0.00 -0.45 0.00 0.00 34.95 33.29 1vsp s ARG 20 CO 0.01 0.06 0.00 -2.13 -0.68 0.00 0.00 175.30 172.56 1vsp n ARG 21 N -0.59 0.00 -0.21 3.54 3.00 -1.07 -4.84 116.66 116.49 1vsp n ARG 21 Ca -0.06 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.82 1vsp n ARG 21 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.08 1vsp n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vsp n GLY 22 N 0.00 -2.76 3.93 5.14 0.00 -1.26 -3.01 105.19 107.23 1vsp n GLY 22 Ca 0.00 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.39 1vsp n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vsp s LYS 23 N -3.28 3.06 0.03 1.61 -2.85 -0.65 -4.76 119.74 112.91 1vsp s LYS 23 Ca 0.00 -0.10 -0.07 0.00 -1.00 0.00 0.00 55.97 54.80 1vsp s LYS 23 Cb 0.00 -2.37 -0.00 0.00 -2.06 0.00 0.00 37.83 33.40 1vsp s LYS 23 CO 0.00 -0.50 0.13 0.00 0.10 0.00 0.00 175.35 175.08 1vsp s ALA 24 N -2.83 -0.21 -0.29 0.59 0.00 -1.26 -2.35 121.76 115.41 1vsp s ALA 24 Ca 0.51 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 1vsp s ALA 24 Cb -0.10 0.22 0.11 0.00 0.00 0.00 0.00 23.12 23.35 1vsp s ALA 24 CO 0.43 -0.30 0.18 0.15 0.00 0.00 0.00 175.76 176.22 1vsp s LYS 25 N -2.28 0.22 0.00 0.00 1.02 -1.22 -4.79 119.74 112.69 1vsp s LYS 25 Ca -0.08 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.51 1vsp s LYS 25 Cb -0.03 -1.03 0.00 0.00 -0.52 0.00 0.00 37.83 36.25 1vsp s LYS 25 CO -0.03 -1.01 0.00 2.89 -0.92 0.00 0.00 175.35 176.28 1vsp n ARG 26 N 5.27 1.43 -0.11 1.68 0.00 -1.10 -4.70 116.66 119.13 1vsp n ARG 26 Ca -0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.59 1vsp n ARG 26 Cb 0.43 0.00 -0.09 0.00 -0.00 0.00 0.00 32.46 32.80 1vsp n ARG 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1vsp n GLU 27 N -0.71 0.51 0.00 2.89 1.02 -1.21 -4.88 120.64 118.27 1vsp n GLU 27 Ca 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1vsp n GLU 27 Cb 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1vsp n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vsp n GLY 28 N 1.92 4.11 0.12 0.62 0.00 0.14 -4.94 105.19 107.17 1vsp n GLY 28 Ca -0.43 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 1vsp n GLY 28 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vsp h GLY 29 N 0.00 0.38 -7.35 -0.02 0.00 -1.84 -3.15 103.07 91.08 1vsp h GLY 29 Ca 0.00 -0.97 -0.69 0.00 0.00 0.00 0.00 47.33 45.68 1vsp h GLY 29 CO 0.00 0.85 0.50 0.14 0.00 0.00 0.00 176.54 178.02 1vsp s VAL 30 N -2.47 4.72 0.00 4.60 1.01 -1.26 -4.69 120.40 122.31 1vsp s VAL 30 Ca -0.14 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.65 1vsp s VAL 30 Cb 0.02 -4.65 0.00 0.00 0.00 0.00 0.00 36.38 31.75 1vsp s VAL 30 CO 0.84 -1.35 0.00 0.61 0.00 0.00 0.00 175.10 175.19 1vsp n GLY 31 N 5.26 -1.60 5.63 4.51 0.00 -1.26 -5.04 105.19 112.69 1vsp n GLY 31 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1vsp n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vsp n LYS 32 N 1.14 0.00 -0.19 1.61 5.02 -1.26 -4.70 118.16 119.77 1vsp n LYS 32 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1vsp n LYS 32 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1vsp n LYS 32 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1vsp n LYS 33 N 0.00 2.23 -3.99 1.97 4.81 -1.19 -4.71 118.16 117.28 1vsp n LYS 33 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1vsp n LYS 33 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 1vsp n LYS 33 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1vsp s THR 34 N 0.02 0.15 0.03 3.15 2.01 -1.25 0.24 115.64 119.99 1vsp s THR 34 Ca 0.00 -1.23 -0.25 0.00 0.31 0.00 0.00 61.69 60.52 1vsp s THR 34 Cb 0.00 -0.85 0.06 0.00 0.01 0.00 0.00 72.50 71.72 1vsp s THR 34 CO 0.00 -0.68 0.58 -0.89 -0.69 0.00 0.00 174.62 172.94 1vsp s THR 35 N -2.57 0.02 0.88 -0.82 2.01 -1.26 -4.89 115.64 109.01 1vsp s THR 35 Ca -0.05 -0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.66 1vsp s THR 35 Cb -0.02 -0.97 0.20 0.00 0.01 0.00 0.00 72.50 71.72 1vsp s THR 35 CO -0.05 -0.07 1.15 0.61 -0.69 0.00 0.00 174.62 175.57 1vsp n GLY 36 N 0.47 -1.59 0.00 4.40 0.00 -1.26 -2.71 105.19 104.50 1vsp n GLY 36 Ca -0.18 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1vsp n GLY 36 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1vsp n ILE 37 N -3.71 0.00 -3.15 -0.61 0.13 -1.25 -4.37 119.36 106.40 1vsp n ILE 37 Ca 0.14 0.00 0.05 0.00 -1.10 0.00 0.00 62.75 61.84 1vsp n ILE 37 Cb 0.51 -0.08 -0.00 0.00 -0.84 0.00 0.00 39.64 39.23 1vsp n ILE 37 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1vsp s SER 38 N -2.85 -0.84 0.19 9.51 0.15 -0.99 -5.00 113.70 113.86 1vsp s SER 38 Ca 0.00 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1vsp s SER 38 Cb 0.00 1.58 0.00 0.00 -1.71 0.00 0.00 66.02 65.89 1vsp s SER 38 CO 0.00 -0.15 0.00 0.29 1.20 0.00 0.00 173.24 174.58 1vsp n LYS 39 N 5.30 1.32 -3.06 5.44 4.01 -1.25 -1.63 118.16 128.28 1vsp n LYS 39 Ca 0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 1vsp n LYS 39 Cb 0.55 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.07 1vsp n LYS 39 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1vsp n ARG 40 N -0.29 -0.70 -0.32 1.97 0.63 -1.16 -4.67 116.66 112.12 1vsp n ARG 40 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1vsp n ARG 40 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1vsp n ARG 40 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1vsp n ARG 41 N 0.00 3.66 -3.66 -0.14 1.85 -1.26 -2.59 116.66 114.51 1vsp n ARG 41 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.89 1vsp n ARG 41 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1vsp n ARG 41 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 1vsp s GLN 42 N 0.55 0.07 -0.66 2.89 -2.07 0.85 -4.14 119.66 117.15 1vsp s GLN 42 Ca 0.00 -0.04 -0.06 0.00 -1.82 0.00 0.00 55.36 53.44 1vsp s GLN 42 Cb 0.00 0.02 0.17 0.00 -1.09 0.00 0.00 33.01 32.11 1vsp s GLN 42 CO 0.00 -0.03 0.51 -0.47 -1.32 0.00 0.00 175.29 173.98 1vsp s TYR 43 N -2.05 3.51 -1.26 9.60 5.04 -1.26 -3.05 117.35 127.88 1vsp s TYR 43 Ca 0.19 -2.44 -0.15 0.00 -2.44 0.00 0.00 57.07 52.23 1vsp s TYR 43 Cb 0.06 -3.39 0.13 0.00 0.35 0.00 0.00 41.96 39.11 1vsp s TYR 43 CO -0.06 -0.90 1.60 -0.35 -1.34 0.00 0.00 175.55 174.50 1vsp n PRO 44 N 3.77 3.31 -1.38 4.97 -0.04 -1.26 -4.99 135.00 139.38 1vsp n PRO 44 Ca 0.08 -3.59 -0.30 0.00 -0.04 0.00 0.00 63.50 59.64 1vsp n PRO 44 Cb 0.41 -3.19 0.09 0.00 -0.04 0.00 0.00 33.50 30.77 1vsp n PRO 44 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1vsp s ASN 45 N 3.17 4.42 0.03 3.54 0.01 -1.26 -3.15 114.94 121.69 1vsp s ASN 45 Ca 0.47 1.57 0.06 0.00 -0.71 0.00 0.00 52.86 54.25 1vsp s ASN 45 Cb 0.01 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.33 1vsp s ASN 45 CO 0.03 -2.05 -0.17 -1.48 -1.51 0.00 0.00 177.10 171.91 1vsp s LEU 46 N -5.89 2.13 0.45 0.60 2.34 -1.26 -4.92 118.68 112.14 1vsp s LEU 46 Ca 0.61 -0.44 -0.25 0.00 0.06 0.00 0.00 54.13 54.12 1vsp s LEU 46 Cb -0.16 -0.81 -0.08 0.00 -0.56 0.00 0.00 46.19 44.57 1vsp s LEU 46 CO 0.56 0.13 1.34 1.67 -1.06 0.00 0.00 176.35 178.99 1vsp n GLN 47 N 2.10 2.02 -3.87 1.48 -0.06 -1.26 -4.96 117.38 112.83 1vsp n GLN 47 Ca -0.17 0.72 -0.09 0.00 -2.00 0.00 0.00 57.00 55.46 1vsp n GLN 47 Cb 0.54 -2.51 -0.05 0.00 -4.06 0.00 0.00 30.24 24.16 1vsp n GLN 47 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1vsp s LYS 48 N -2.40 1.38 0.01 3.69 1.02 -1.25 -3.21 119.74 118.98 1vsp s LYS 48 Ca 0.63 -1.05 -0.28 0.00 0.02 0.00 0.00 55.97 55.28 1vsp s LYS 48 Cb -0.47 0.47 0.07 0.00 -0.52 0.00 0.00 37.83 37.38 1vsp s LYS 48 CO 0.57 -0.56 0.65 0.08 -0.92 0.00 0.00 175.35 175.16 1vsp s VAL 49 N -3.94 0.00 0.54 3.17 1.01 0.19 -4.90 120.40 116.47 1vsp s VAL 49 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 1vsp s VAL 49 Cb 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1vsp s VAL 49 CO 0.01 -0.00 0.79 -0.13 0.00 0.00 0.00 175.10 175.76 1vsp s ARG 50 N -1.95 2.79 0.00 2.72 0.52 -1.26 -3.00 118.95 118.78 1vsp s ARG 50 Ca -0.07 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1vsp s ARG 50 Cb -0.00 -2.44 0.00 0.00 0.52 0.00 0.00 34.95 33.03 1vsp s ARG 50 CO 0.03 -0.59 0.00 0.28 0.02 0.00 0.00 175.30 175.04 1vsp n VAL 51 N -2.35 0.00 0.00 3.52 0.31 0.23 -4.93 118.33 115.12 1vsp n VAL 51 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1vsp n VAL 51 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 1vsp n VAL 51 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1vsp n ARG 52 N 0.00 0.00 -4.05 5.55 3.00 -1.26 -4.80 116.66 115.10 1vsp n ARG 52 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.78 1vsp n ARG 52 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.36 1vsp n ARG 52 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1vsp s VAL 53 N 0.00 0.20 -0.13 5.15 1.01 -1.20 -5.01 120.40 120.43 1vsp s VAL 53 Ca 0.00 -1.64 -0.06 0.00 0.00 0.00 0.00 61.98 60.28 1vsp s VAL 53 Cb 0.00 -1.39 0.06 0.00 0.00 0.00 0.00 36.38 35.05 1vsp s VAL 53 CO 0.00 -0.91 0.28 0.00 0.00 0.00 0.00 175.10 174.47 1vsp s ALA 54 N -3.69 -0.65 -1.80 5.51 0.00 -1.26 -1.96 121.76 117.91 1vsp s ALA 54 Ca 0.05 1.06 0.21 0.00 0.00 0.00 0.00 51.96 53.28 1vsp s ALA 54 Cb 0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1vsp s ALA 54 CO -0.09 -0.42 1.01 0.41 0.00 0.00 0.00 175.76 176.67 1vsp n GLY 55 N 4.77 -0.09 0.00 0.00 0.00 -1.26 -4.79 105.19 103.81 1vsp n GLY 55 Ca -0.16 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1vsp n GLY 55 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vsp n GLN 56 N -0.22 0.00 -3.13 1.61 7.27 -1.26 -4.91 117.38 116.74 1vsp n GLN 56 Ca 0.08 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.18 1vsp n GLN 56 Cb 0.43 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.07 1vsp n GLN 56 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1vsp s GLU 57 N 0.00 0.54 0.20 3.69 2.12 -1.26 -5.19 118.70 118.79 1vsp s GLU 57 Ca 0.00 0.14 -0.05 0.00 0.36 0.00 0.00 54.97 55.42 1vsp s GLU 57 Cb 0.00 0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.51 1vsp s GLU 57 CO 0.00 -0.89 0.23 0.42 -0.54 0.00 0.00 175.26 174.48 1vsp s ILE 58 N 2.42 0.02 -0.29 -3.70 1.01 -0.83 -4.97 121.20 114.86 1vsp s ILE 58 Ca 0.15 -1.75 -0.25 0.00 0.00 0.00 0.00 60.65 58.80 1vsp s ILE 58 Cb -0.05 -2.26 0.16 0.00 0.01 0.00 0.00 42.46 40.31 1vsp s ILE 58 CO -0.18 -0.11 1.23 -0.89 0.00 0.00 0.00 174.94 174.99 1vsp s THR 59 N -4.08 0.00 0.33 2.92 2.01 -1.23 -3.23 115.64 112.37 1vsp s THR 59 Ca 0.29 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.35 1vsp s THR 59 Cb 0.05 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 1vsp s THR 59 CO 0.08 0.00 0.22 -0.36 -0.69 0.00 0.00 174.62 173.87 1vsp s PHE 60 N 0.12 1.69 -0.07 4.92 0.08 -1.26 -4.89 117.98 118.56 1vsp s PHE 60 Ca 0.05 -1.54 0.02 0.00 0.12 0.00 0.00 56.93 55.59 1vsp s PHE 60 Cb -0.05 -0.80 -0.02 0.00 -0.57 0.00 0.00 43.02 41.57 1vsp s PHE 60 CO -0.11 -0.70 -0.13 0.50 -0.10 0.00 0.00 175.22 174.68 1vsp s ARG 61 N -3.60 2.75 0.00 0.44 3.52 -1.26 0.78 118.95 121.58 1vsp s ARG 61 Ca 0.37 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 1vsp s ARG 61 Cb 0.03 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.94 1vsp s ARG 61 CO 0.23 0.54 0.00 1.33 -0.81 0.00 0.00 175.30 176.58 1vsp n VAL 62 N 2.57 0.00 0.00 7.11 0.24 -1.16 -4.80 118.33 122.29 1vsp n VAL 62 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1vsp n VAL 62 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1vsp n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vsp n ALA 63 N -3.00 0.00 -0.82 2.33 0.00 -1.26 -2.94 120.51 114.82 1vsp n ALA 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsp n ALA 63 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsp n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsp n ALA 64 N -3.00 1.85 -0.16 0.00 0.00 -1.20 -0.64 120.51 117.37 1vsp n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsp n ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsp n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vsp n SER 65 N -1.28 2.86 -2.28 0.00 2.88 -1.26 -2.93 113.62 111.61 1vsp n SER 65 Ca 0.00 -1.71 -0.11 0.00 -1.33 0.00 0.00 58.87 55.72 1vsp n SER 65 Cb 0.00 -0.59 0.04 0.00 -0.75 0.00 0.00 64.21 62.91 1vsp n SER 65 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1vsp n HIS 66 N 1.56 1.85 -0.32 0.66 -0.00 -1.26 -4.92 115.22 112.80 1vsp n HIS 66 Ca 0.00 -2.07 0.03 0.00 -0.00 0.00 0.00 57.72 55.68 1vsp n HIS 66 Cb 0.29 -0.28 0.11 0.00 -0.00 0.00 0.00 29.99 30.11 1vsp n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 1vsp h ILE 67 N 3.82 0.11 0.27 1.59 2.04 -1.95 -3.08 117.51 120.31 1vsp h ILE 67 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1vsp h ILE 67 Cb 1.41 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1vsp h ILE 67 CO 0.44 0.00 -0.13 1.55 0.00 0.00 0.00 178.15 180.01 1vsp h PRO 68 N -0.01 -0.35 -0.57 2.37 0.13 -1.92 -3.36 132.00 128.30 1vsp h PRO 68 Ca 0.42 0.02 0.13 0.00 -0.87 0.00 0.00 66.00 65.70 1vsp h PRO 68 Cb 0.64 0.08 -0.11 0.00 0.13 0.00 0.00 31.00 31.75 1vsp h PRO 68 CO -0.91 -0.24 -0.08 0.36 -0.23 0.00 0.00 178.00 176.91 1vsp n LYS 69 N -4.16 -0.05 0.00 0.86 2.85 -1.17 0.22 118.16 116.71 1vsp n LYS 69 Ca -0.05 0.87 0.00 0.00 -1.05 0.00 0.00 58.31 58.08 1vsp n LYS 69 Cb 0.14 -1.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.19 1vsp n LYS 69 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1vsp n VAL 70 N -4.83 0.00 0.06 0.58 0.24 -1.18 -2.76 118.33 110.44 1vsp n VAL 70 Ca 0.11 1.46 -0.13 0.00 -2.04 0.00 0.00 64.34 63.74 1vsp n VAL 70 Cb 0.35 -2.44 -0.09 0.00 -1.47 0.00 0.00 33.84 30.19 1vsp n VAL 70 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1vsp h TYR 71 N 0.00 -0.13 -0.32 6.34 0.99 -1.42 -2.94 116.97 119.49 1vsp h TYR 71 Ca 0.00 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.78 1vsp h TYR 71 Cb 0.00 0.04 -0.05 0.00 1.00 0.00 0.00 36.73 37.72 1vsp h TYR 71 CO 0.16 0.17 -0.13 -1.91 -0.00 0.00 0.00 178.16 176.45 1vsp n GLU 72 N -5.02 -0.08 -0.04 4.88 2.13 0.13 0.14 120.64 122.78 1vsp n GLU 72 Ca -0.08 0.50 -0.13 0.00 0.66 0.00 0.00 57.16 58.10 1vsp n GLU 72 Cb 0.19 -0.74 -0.08 0.00 0.27 0.00 0.00 31.44 31.08 1vsp n GLU 72 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1vsp h LEU 73 N 0.00 0.27 -1.18 4.31 3.38 -1.50 -3.31 115.31 117.28 1vsp h LEU 73 Ca 0.11 -0.53 0.35 0.00 0.09 0.00 0.00 57.88 57.90 1vsp h LEU 73 Cb 0.19 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1vsp h LEU 73 CO -0.32 0.75 0.83 0.52 0.09 0.00 0.00 178.44 180.31 1vsp n VAL 74 N -4.61 -0.04 -1.96 1.22 0.31 0.36 -2.82 118.33 110.79 1vsp n VAL 74 Ca -0.07 0.99 -0.31 0.00 -0.01 0.00 0.00 64.34 64.94 1vsp n VAL 74 Cb 0.36 -1.65 -0.06 0.00 -0.91 0.00 0.00 33.84 31.58 1vsp n VAL 74 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vsp n GLU 75 N -3.38 1.64 -4.87 5.55 -0.58 -1.20 -4.90 120.64 112.90 1vsp n GLU 75 Ca 0.28 -2.42 -0.33 0.00 -0.42 0.00 0.00 57.16 54.27 1vsp n GLU 75 Cb 1.23 -3.62 -0.13 0.00 -0.57 0.00 0.00 31.44 28.34 1vsp n GLU 75 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1vsp s ARG 76 N 6.21 2.53 -0.60 3.49 0.52 -1.13 -5.09 118.95 124.89 1vsp s ARG 76 Ca 0.67 -0.69 -0.26 0.00 -0.52 0.00 0.00 55.73 54.93 1vsp s ARG 76 Cb 0.01 -2.40 0.04 0.00 0.52 0.00 0.00 34.95 33.13 1vsp s ARG 76 CO 0.13 0.62 1.09 0.00 0.02 0.00 0.00 175.30 177.17 1vsp s ALA 77 N -0.72 3.03 0.00 2.13 0.00 -1.26 -4.94 121.76 120.00 1vsp s ALA 77 Ca 0.11 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1vsp s ALA 77 Cb -0.11 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.07 1vsp s ALA 77 CO 0.01 -2.65 0.00 0.36 0.00 0.00 0.00 175.76 173.47 1vsp n LYS 78 N 8.14 0.00 -4.39 0.00 -0.00 -1.26 -5.16 118.16 115.49 1vsp n LYS 78 Ca 0.04 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.10 1vsp n LYS 78 Cb 0.48 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.39 1vsp n LYS 78 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1vsp s GLY 79 N 0.00 1.60 0.00 2.58 0.00 -1.26 -5.11 107.32 105.13 1vsp s GLY 79 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.14 1vsp s GLY 79 CO 0.00 -1.61 0.00 1.04 0.00 0.00 0.00 173.10 172.53 1vsp n LEU 80 N 0.33 0.00 0.00 0.66 4.77 -1.26 -5.19 117.00 116.32 1vsp n LEU 80 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1vsp n LEU 80 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1vsp n LEU 80 CO 0.29 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.89 1vsp n ARG 81 N 0.00 0.00 -0.12 3.23 1.74 -1.26 -5.07 116.66 115.18 1vsp n ARG 81 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1vsp n ARG 81 Cb 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.57 1vsp n ARG 81 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1vsp n LEU 82 N 0.00 2.54 -4.20 0.55 7.94 -1.26 -4.86 117.00 117.71 1vsp n LEU 82 Ca 0.00 -2.80 -0.59 0.00 -1.11 0.00 0.00 56.01 51.50 1vsp n LEU 82 Cb 0.00 -0.35 -0.11 0.00 0.53 0.00 0.00 43.42 43.49 1vsp n LEU 82 CO 0.00 0.66 1.55 1.21 -1.11 0.00 0.00 177.39 179.70 1vsp n GLU 83 N -1.01 0.00 0.00 1.96 2.13 -1.26 -4.13 120.64 118.33 1vsp n GLU 83 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1vsp n GLU 83 Cb 0.59 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.85 1vsp n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vsp n GLY 84 N 6.50 -1.69 0.51 8.31 0.00 -1.26 -3.41 105.19 114.15 1vsp n GLY 84 Ca 0.48 -1.29 0.40 0.00 0.00 0.00 0.00 46.02 45.60 1vsp n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1vsp h LEU 85 N 0.00 0.19 0.00 0.99 4.07 -2.01 -3.45 115.31 115.11 1vsp h LEU 85 Ca 0.00 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1vsp h LEU 85 Cb 0.00 0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1vsp h LEU 85 CO 0.00 -0.16 0.00 -1.20 -1.08 0.00 0.00 178.44 176.00 1vsp n SER 86 N -4.57 0.00 0.13 -0.43 7.64 -1.22 -4.77 113.62 110.40 1vsp n SER 86 Ca 0.38 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.25 1vsp n SER 86 Cb 1.53 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 64.89 1vsp n SER 86 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1vsp h PRO 87 N 0.00 0.02 0.00 1.43 0.13 -1.87 -3.37 132.00 128.34 1vsp h PRO 87 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1vsp h PRO 87 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1vsp h PRO 87 CO 0.00 0.65 0.00 0.36 -0.23 0.00 0.00 178.00 178.78 1vsp n LYS 88 N -3.79 0.00 -0.24 0.86 2.85 -1.26 0.64 118.16 117.22 1vsp n LYS 88 Ca -0.01 0.59 0.03 0.00 -1.05 0.00 0.00 58.31 57.87 1vsp n LYS 88 Cb 0.63 -1.02 0.13 0.00 -0.65 0.00 0.00 35.03 34.12 1vsp n LYS 88 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1vsp h GLU 89 N 0.00 0.09 0.55 -1.58 9.09 -1.89 -3.02 114.58 117.83 1vsp h GLU 89 Ca 0.00 -0.01 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 1vsp h GLU 89 Cb 0.00 -0.02 0.01 0.00 -1.65 0.00 0.00 28.75 27.08 1vsp h GLU 89 CO 0.00 0.06 -0.27 0.82 0.05 0.00 0.00 179.01 179.68 1vsp h ILE 90 N 0.10 0.00 -1.37 -1.06 2.04 -1.40 -3.18 117.51 112.63 1vsp h ILE 90 Ca 0.37 -0.11 0.42 0.00 1.00 0.00 0.00 64.86 66.55 1vsp h ILE 90 Cb 0.63 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.61 1vsp h ILE 90 CO -0.63 0.00 0.91 0.11 0.00 0.00 0.00 178.15 178.55 1vsp h LYS 91 N -0.85 0.10 -0.35 2.37 6.56 0.29 0.69 116.57 125.38 1vsp h LYS 91 Ca -0.08 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.49 1vsp h LYS 91 Cb 0.57 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.19 1vsp h LYS 91 CO 0.12 0.07 0.17 -0.22 -2.06 0.00 0.00 179.45 177.53 1vsp h LYS 92 N 0.10 0.51 -1.81 3.15 1.63 -1.51 -2.38 116.57 116.26 1vsp h LYS 92 Ca 0.78 -0.08 -0.15 0.00 -0.85 0.00 0.00 60.65 60.36 1vsp h LYS 92 Cb 2.58 -0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 34.06 1vsp h LYS 92 CO -0.29 0.46 0.16 0.39 -3.45 0.00 0.00 179.45 176.72 1vsp n GLU 93 N -4.73 1.38 -3.97 1.90 1.02 0.24 -4.69 120.64 111.80 1vsp n GLU 93 Ca -0.01 -0.70 -0.30 0.00 -0.02 0.00 0.00 57.16 56.12 1vsp n GLU 93 Cb 0.11 -1.30 -0.14 0.00 -0.02 0.00 0.00 31.44 30.09 1vsp n GLU 93 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1vsp s LEU 94 N -0.78 4.42 0.00 -4.62 1.02 -0.90 -5.04 118.68 112.79 1vsp s LEU 94 Ca 0.16 -2.68 0.21 0.00 0.02 0.00 0.00 54.13 51.83 1vsp s LEU 94 Cb 0.11 -1.61 1.23 0.00 0.02 0.00 0.00 46.19 45.94 1vsp s LEU 94 CO -0.01 -0.29 1.61 0.18 0.02 0.00 0.00 176.35 177.87